ethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate

C18H32O2Si — CID 10403042

IUPACethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate
SMILESC=CC[C@@H]1CCC[C@H]1C/C=C(/C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C18H32O2Si/c1-6-9-15-10-8-11-16(15)12-13-17(14-21(3,4)5)18(19)20-7-2/h6,13,15-16H,1,7-12,14H2,2-5H3/b17-13-/t15-,16+/m1/s1
InChIKeyFYEGIIWCQCICPL-AEDQPKDKSA-N
MW308.54 g/mol
LogP5.20
Rot. Bonds8

About ethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate

ethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate (PubChem CID 10403042) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is ethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate
PubChem CID10403042
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Nameethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate
SMILESC=CC[C@@H]1CCC[C@H]1C/C=C(/C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C18H32O2Si/c1-6-9-15-10-8-11-16(15)12-13-17(14-21(3,4)5)18(19)20-7-2/h6,13,15-16H,1,7-12,14H2,2-5H3/b17-13-/t15-,16+/m1/s1
InChIKeyFYEGIIWCQCICPL-AEDQPKDKSA-N
XLogP5.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate?
The IUPAC name of ethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate (CID 10403042) is ethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate.
What is the SMILES notation for ethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate?
The canonical SMILES for ethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate is C=CC[C@@H]1CCC[C@H]1C/C=C(/C[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate?
The InChIKey is FYEGIIWCQCICPL-AEDQPKDKSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-6-9-15-10-8-11-16(15)12-13-17(14-21(3,4)5)18(19)20-7-2/h6,13,15-16H,1,7-12,14H2,2-5H3/b17-13-/t15-,16+/m1/s1.
What are the key properties of ethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate?
ethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate has a molecular weight of 308.54 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-[(1S,2S)-2-prop-2-enylcyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate is sourced from PubChem (CID 10403042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).